2-(3-chloro-4-ethylsulfanylphenyl)-2-fluoropropan-1-ol

C11H14ClFOS — CID 105425024

IUPAC2-(3-chloro-4-ethylsulfanylphenyl)-2-fluoropropan-1-ol
SMILESCCSc1ccc(C(C)(F)CO)cc1Cl
InChIInChI=1S/C11H14ClFOS/c1-3-15-10-5-4-8(6-9(10)12)11(2,13)7-14/h4-6,14H,3,7H2,1-2H3
InChIKeyDRFHCTMSFWTPIJ-UHFFFAOYSA-N
MW248.75 g/mol
LogP3.63
Rot. Bonds4

About 2-(3-chloro-4-ethylsulfanylphenyl)-2-fluoropropan-1-ol

2-(3-chloro-4-ethylsulfanylphenyl)-2-fluoropropan-1-ol (PubChem CID 105425024) has the molecular formula C11H14ClFOS and a molecular weight of 248.75 g/mol. Its IUPAC name is 2-(3-chloro-4-ethylsulfanylphenyl)-2-fluoropropan-1-ol.

Molecular Properties

Compound Name2-(3-chloro-4-ethylsulfanylphenyl)-2-fluoropropan-1-ol
PubChem CID105425024
Molecular FormulaC11H14ClFOS
Molecular Weight248.75 g/mol
Exact Mass248.04
IUPAC Name2-(3-chloro-4-ethylsulfanylphenyl)-2-fluoropropan-1-ol
SMILESCCSc1ccc(C(C)(F)CO)cc1Cl
InChIInChI=1S/C11H14ClFOS/c1-3-15-10-5-4-8(6-9(10)12)11(2,13)7-14/h4-6,14H,3,7H2,1-2H3
InChIKeyDRFHCTMSFWTPIJ-UHFFFAOYSA-N
XLogP3.63
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.75
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-ethylsulfanylphenyl)-2-fluoropropan-1-ol?
The IUPAC name of 2-(3-chloro-4-ethylsulfanylphenyl)-2-fluoropropan-1-ol (CID 105425024) is 2-(3-chloro-4-ethylsulfanylphenyl)-2-fluoropropan-1-ol.
What is the SMILES notation for 2-(3-chloro-4-ethylsulfanylphenyl)-2-fluoropropan-1-ol?
The canonical SMILES for 2-(3-chloro-4-ethylsulfanylphenyl)-2-fluoropropan-1-ol is CCSc1ccc(C(C)(F)CO)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-ethylsulfanylphenyl)-2-fluoropropan-1-ol?
The InChIKey is DRFHCTMSFWTPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFOS/c1-3-15-10-5-4-8(6-9(10)12)11(2,13)7-14/h4-6,14H,3,7H2,1-2H3.
What are the key properties of 2-(3-chloro-4-ethylsulfanylphenyl)-2-fluoropropan-1-ol?
2-(3-chloro-4-ethylsulfanylphenyl)-2-fluoropropan-1-ol has a molecular weight of 248.75 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-ethylsulfanylphenyl)-2-fluoropropan-1-ol is sourced from PubChem (CID 105425024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).